Electron and optical properties of fullerene C70 within the conception of a strongly correlated state

详细

In the framework of the Hubbard model in the static fluctuation approximation, the energy spectrum of fullerene C₇₀ with allowance for different lengths of the bonds between nonequivalent nodes is calculated. On the basis of the calculated energy spectrum, the optical absorption spectrum in the ultraviolet and visible region is simulated. A good qualitative agreement between the calculated and measured absorption spectra and between the measured and theoretical values of the gap width between the highest occupied and the lowest unoccupied molecular orbital is found.